Information card for entry 4312833

Structure parameters

• Common name: [Fe2(O2CArTol)4(BAp-OME)2]0.5(CH2Cl2)
• Formula: C100.5 H91 Cl Fe2 N2 O10
• Calculated formula: C100.5 H91 Cl Fe2 N2 O10
• Title of publication: Synthesis, Characterization, and Dioxygen Reactivity of Tetracarboxylate-Bridged Diiron(II) Complexes with Coordinated Substrates
• Authors of publication: Sungho Yoon; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8606 - 8608
• a: 14.353 ± 0.009 Å
• b: 16.211 ± 0.009 Å
• c: 19.993 ± 0.012 Å
• α: 70.78 ± 0.03°
• β: 89.83 ± 0.03°
• γ: 76.08 ± 0.03°
• Cell volume: 4249 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No